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Inelastic scatterin...
Inelastic scattering in metal-H-2-metal junctions
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Kristensen, IS (författare)
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- Paulsson, Magnus (författare)
- Högskolan i Kalmar,Naturvetenskapliga institutionen
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Thygesen, KS (författare)
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Jacobsen, KW (författare)
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(creator_code:org_t)
- 2009
- 2009
- Engelska.
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 79:Article number: 235411
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- We present first-principles calculations of the dI/dV characteristics of an H-2 molecule sandwiched between Au and Pt electrodes in the presence of electron-phonon interactions. The conductance is found to decrease by a few percentages at threshold voltages corresponding to the excitation energy of longitudinal vibrations of the H-2 molecule. In the case of Pt electrodes, the transverse vibrations can mediate transport through otherwise nontransmitting Pt d channels leading to an increase in the differential conductance even though the hydrogen junction is characterized predominately by a single almost fully open transport channel. In the case of Au, the transverse modes do not affect the dI/dV because the Au d states are too far below the Fermi level. A simple explanation of the first-principles results is given using scattering theory. Finally, we compare and discuss our results in relation to experimental data.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Nyckelord
- Fysik
- Physics
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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